4-hydroxy-5-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one

C10H15N3O2S — CID 103595080

IUPAC4-hydroxy-5-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C2CSCCN2C)[nH]c1=O
InChIInChI=1S/C10H15N3O2S/c1-6-9(14)11-8(12-10(6)15)7-5-16-4-3-13(7)2/h7H,3-5H2,1-2H3,(H2,11,12,14,15)
InChIKeyMIDQHJTWUCJUKH-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.50
Rot. Bonds1

About 4-hydroxy-5-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one

4-hydroxy-5-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one (PubChem CID 103595080) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one
PubChem CID103595080
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name4-hydroxy-5-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C2CSCCN2C)[nH]c1=O
InChIInChI=1S/C10H15N3O2S/c1-6-9(14)11-8(12-10(6)15)7-5-16-4-3-13(7)2/h7H,3-5H2,1-2H3,(H2,11,12,14,15)
InChIKeyMIDQHJTWUCJUKH-UHFFFAOYSA-N
XLogP0.50
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-hydroxy-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one
CID 103595085
5-(2-hydroxyethyl)-4-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one
CID 136982231
5-bromo-2-(4-methylthiomorpholin-3-yl)-4-propyl-1H-pyrimidin-6-one
CID 136736243
4-hydroxy-5-methyl-2-(3-methyl-1,4-dithian-2-yl)-1H-pyrimidin-6-one
CID 115385491
2-(2,2-dimethylcyclopropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 107925351
1-[2-(4-methylthiomorpholin-3-yl)-1H-imidazol-5-yl]ethanone
CID 130502100
6-cyclopentyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
CID 106481822
2-(1,4-dimethylpiperazin-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 79658713
4-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiomorpholine
CID 106446200
3-(4,6-dichloro-5-iodopyrimidin-2-yl)-4-methylthiomorpholine
CID 103595131
3-[5-(1-chloroethyl)-4-methylpyrimidin-2-yl]-4-methylthiomorpholine
CID 106445947
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 79077582

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one (CID 103595080) is 4-hydroxy-5-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one is Cc1c(O)nc(C2CSCCN2C)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one?
The InChIKey is MIDQHJTWUCJUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-6-9(14)11-8(12-10(6)15)7-5-16-4-3-13(7)2/h7H,3-5H2,1-2H3,(H2,11,12,14,15).
What are the key properties of 4-hydroxy-5-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one has a molecular weight of 241.32 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 103595080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).